1-methoxy-2,10,24-trimethylheptacosane

C31H64O — CID 86172880

IUPAC1-methoxy-2,10,24-trimethylheptacosane
SMILESCCCC(C)CCCCCCCCCCCCCC(C)CCCCCCCC(C)COC
InChIInChI=1S/C31H64O/c1-6-23-29(2)24-19-15-12-10-8-7-9-11-13-16-20-25-30(3)26-21-17-14-18-22-27-31(4)28-32-5/h29-31H,6-28H2,1-5H3
InChIKeyFRAWLZBDOURHNL-UHFFFAOYSA-N
MW452.85 g/mol
LogP11.14
Rot. Bonds26

About 1-methoxy-2,10,24-trimethylheptacosane

1-methoxy-2,10,24-trimethylheptacosane (PubChem CID 86172880) has the molecular formula C31H64O and a molecular weight of 452.85 g/mol. Its IUPAC name is 1-methoxy-2,10,24-trimethylheptacosane.

Molecular Properties

Compound Name1-methoxy-2,10,24-trimethylheptacosane
PubChem CID86172880
Molecular FormulaC31H64O
Molecular Weight452.85 g/mol
Exact Mass452.50
IUPAC Name1-methoxy-2,10,24-trimethylheptacosane
SMILESCCCC(C)CCCCCCCCCCCCCC(C)CCCCCCCC(C)COC
InChIInChI=1S/C31H64O/c1-6-23-29(2)24-19-15-12-10-8-7-9-11-13-16-20-25-30(3)26-21-17-14-18-22-27-31(4)28-32-5/h29-31H,6-28H2,1-5H3
InChIKeyFRAWLZBDOURHNL-UHFFFAOYSA-N
XLogP11.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.85
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2,12-dimethyldocosane
CID 91752253
1-methoxy-2-methyldecane
CID 13444249
1-methoxy-2,22-dimethyltetracosane
CID 86173032
1,11-dimethoxy-2-methylundecane
CID 118982395
4-methyloctadecane
CID 517866
4,13-dimethylheptadecane
CID 6430494
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
(4R)-4-methyldecane
CID 57191620
(4R)-4-methylpentadecane
CID 98062361
4-methyltritriacontane
CID 71346224
4,10-dimethyltriacontane
CID 6430425

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,10,24-trimethylheptacosane?
The IUPAC name of 1-methoxy-2,10,24-trimethylheptacosane (CID 86172880) is 1-methoxy-2,10,24-trimethylheptacosane.
What is the SMILES notation for 1-methoxy-2,10,24-trimethylheptacosane?
The canonical SMILES for 1-methoxy-2,10,24-trimethylheptacosane is CCCC(C)CCCCCCCCCCCCCC(C)CCCCCCCC(C)COC.
What is the InChIKey of 1-methoxy-2,10,24-trimethylheptacosane?
The InChIKey is FRAWLZBDOURHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O/c1-6-23-29(2)24-19-15-12-10-8-7-9-11-13-16-20-25-30(3)26-21-17-14-18-22-27-31(4)28-32-5/h29-31H,6-28H2,1-5H3.
What are the key properties of 1-methoxy-2,10,24-trimethylheptacosane?
1-methoxy-2,10,24-trimethylheptacosane has a molecular weight of 452.85 g/mol, XLogP of 11.14, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,10,24-trimethylheptacosane is sourced from PubChem (CID 86172880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).